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1439897-55-8 | 2,2-Dimethyl-3-o-tolylpropan-1-amine hydrochloride
CAS No: 1439897-55-8 Catalog No: AG01F91U MDL No:
Product Description
Catalog Number:
AG01F91U
Chemical Name:
2,2-Dimethyl-3-o-tolylpropan-1-amine hydrochloride
CAS Number:
1439897-55-8
Molecular Formula:
C12H20ClN
Molecular Weight:
213.7469
IUPAC Name:
2,2-dimethyl-3-(2-methylphenyl)propan-1-amine;hydrochloride
InChI:
InChI=1S/C12H19N.ClH/c1-10-6-4-5-7-11(10)8-12(2,3)9-13;/h4-7H,8-9,13H2,1-3H3;1H
InChI Key:
VQIKPQKKHBUFNI-UHFFFAOYSA-N
SMILES:
NCC(Cc1ccccc1C)(C)C.Cl
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.128g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.749g/mol
Monoisotopic Mass:
213.128g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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